7XJ
Summary
| Name: | 1-(1-azanylisoquinolin-6-yl)-3-(phenylmethyl)urea |
| Formula: | C17 H16 N4 O |
| Formal charge: | 0 |
| Formula weight: | 292.335 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | 1-(1-azanylisoquinolin-6-yl)-3-(phenylmethyl)urea |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C17H16N4O/c18-16-15-7-6-14(10-13(15)8-9-19-16)21-17(22)20-11-12-4-2-1-3-5-12/h1-10H,11H2,(H2,18,19)(H2,20,21,22) |
| InChIKey | InChI | 1.03 | HFHRTXJNMUTIEE-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Nc1nccc2cc(NC(=O)NCc3ccccc3)ccc12 |
| SMILES | CACTVS | 3.385 | Nc1nccc2cc(NC(=O)NCc3ccccc3)ccc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1ccc(cc1)CNC(=O)Nc2ccc3c(c2)ccnc3N |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1ccc(cc1)CNC(=O)Nc2ccc3c(c2)ccnc3N |
